N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide

C18H17FN4O2 — CID 163367306

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C1CCOCC1
InChIInChI=1S/C18H17FN4O2/c19-13-1-4-15(5-2-13)23-21-16-6-3-14(11-17(16)22-23)20-18(24)12-7-9-25-10-8-12/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyLRSMXSQBJVTBJT-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.92
Rot. Bonds3

About N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide

N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide (PubChem CID 163367306) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide
PubChem CID163367306
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C1CCOCC1
InChIInChI=1S/C18H17FN4O2/c19-13-1-4-15(5-2-13)23-21-16-6-3-14(11-17(16)22-23)20-18(24)12-7-9-25-10-8-12/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyLRSMXSQBJVTBJT-UHFFFAOYSA-N
XLogP2.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
CID 163367302
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
CID 23848322
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methylpropanamide
CID 17100401
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
CID 4566393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide (CID 163367306) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide is O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide?
The InChIKey is LRSMXSQBJVTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-1-4-15(5-2-13)23-21-16-6-3-14(11-17(16)22-23)20-18(24)12-7-9-25-10-8-12/h1-6,11-12H,7-10H2,(H,20,24).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide is sourced from PubChem (CID 163367306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).